Basic information
- CAS
206256-14-6- Standard SMILES
CCOC(=O)c1[nH]c2ccccc2c1Sc1ccccc1N- InChIKey
CTQVYIAOXRYGGZ-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2S
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.09324893
Names & identifiers
- Preferred name
- 1H-Indole-2-carboxylic acid, 3-((2-aminophenyl)thio)-, ethyl ester
- IUPAC
- ethyl 3-(2-aminophenyl)sulfanyl-1H-indole-2-carboxylate
Names & synonyms
206256-14-6Ethyl 3-((2-aminophenyl)thio)-1H-indole-2-carboxylate1H-Indole-2-carboxylic acid, 3-((2-aminophenyl)thio)-, ethyl esterEthyl 3-(2-aminophenylthio)indole-2-carboxylateethyl 3-(2-aminophenyl)sulfanyl-1H-indole-2-carboxylateethyl 3-[(2-aminophenyl)sulfanyl]-1h-indole-2-carboxylate1H-Indole-2-carboxylic acid, 3-[(2-aminophenyl)thio]-, ethyl esterCHEMBL368438DTXSID80174632
Database identifiers
- CAS
206256-14-6- PubChem CID
- 469727
- DTXSID
DTXSID80174632- ChEMBL
CHEMBL368438
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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